A. Smondyrev

发表

Phase-ordering dynamics of the Gay-Berne nematic liquid crystal.

R. Pelcovits, G. Loriot, J. L. Billeter, 1999, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and high cholesterol concentrations: molecular dynamics simulation.

A. Smondyrev, M. Berkowitz, A M Smondyrev, 1999, Biophysical journal.

Proton affinity changes driving unidirectional proton transport in the bacteriorhodopsin photocycle.

Donald Bashford, Alexey Onufriev, D. Bashford, 2003, Journal of molecular biology.

United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidicholine/water system

Alexander M. Smondyrev, Max L. Berkowitz, A. Smondyrev, 1999 .

Topological Defect Behavior in a Quenched Nematic Liquid Crystal

R. Pelcovits, G. Loriot, J. L. Billeter, 2001 .

Calculating the bulk modulus for a lipid bilayer with nonequilibrium molecular dynamics simulation.

G. Voth, A. Smondyrev, S. Bardenhagen, 2002, Biophysical journal.

Molecular dynamics simulation of fluorination effects on a phospholipid bilayer

A. Smondyrev, M. Berkowitz, 1999 .

Molecular dynamics simulation of DPPC bilayer in DMSO.

A. Smondyrev, M. Berkowitz, 1999, Biophysical journal.

Effects of oxygenated sterol on phospholipid bilayer properties: a molecular dynamics simulation.

A. Smondyrev, M. Berkowitz, 2001, Chemistry and physics of lipids.

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

David E. Shaw, Richard A. Friesner, Steven L. Dixon, 2006, J. Comput. Aided Mol. Des..

Molecular dynamics simulation of dipalmitoylphosphatidylcholine membrane with cholesterol sulfate.

A. Smondyrev, M. Berkowitz, A M Smondyrev, 2000, Biophysical journal.

PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching

Steven L Dixon, Alexander M Smondyrev, Shashidhar N Rao, 2006, Chemical biology & drug design.

United atom force field for phospholipid membranes: Constant pressure molecular dynamics simulation of dipalmitoylphosphatidicholine/water system

Alexander M. Smondyrev, Max L. Berkowitz, A. Smondyrev, 1999, J. Comput. Chem..

Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol.

A. Smondyrev, M. Berkowitz, 2001, Biophysical journal.

Molecular dynamics simulation of proton transport near the surface of a phospholipid membrane.

Gregory A Voth, Alexander M Smondyrev, G. Voth, 2002, Biophysical journal.

Interfacing molecular dynamics and macro-scale simulations for lipid bilayer vesicles.

Gregory A Voth, Alexander M Smondyrev, G. Voth, 2002, Biophysical journal.

Molecular dynamics simulation of proton transport through the influenza A virus M2 channel.

G. Voth, A. Smondyrev, 2002, Biophysical journal.

Glass formation in the Gay-Berne nematic liquid crystal

A. Smondyrev, Robert A. Pelcovits, 1996, cond-mat/9609277.

Nematic structures in cylindrical cavities

A. Smondyrev, 1999 .